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	hartrees
Energy at 0K	-185.492650
Energy at 298.15K	-185.491860
HF Energy	-185.295447
Nuclear repulsion energy	76.093792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	2362	2242	0.00
2	Σ_g	883	838	0.00
3	Σ_u	2188	2077	2.09
4	Π_g	550	522	0.00
5	Π_g	550	522	0.00
6	Π_u	249	236	18.92
7	Π_u	249	236	18.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.691
C2	0.000	0.000	-0.691
N3	0.000	0.000	1.863
N4	0.000	0.000	-1.863

	C1	C2	N3	N4
C1		1.3814	1.1719	2.5532
C2	1.3814		2.5532	1.1719
N3	1.1719	2.5532		3.7251
N4	2.5532	1.1719	3.7251

Number	Element	Mulliken
1	C	0.412
2	C	0.412
3	N	-0.412
4	N	-0.412

All results from a given calculation for C₂N₂ (Cyanogen)

using model chemistry: B2PLYP/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	69.165
(<r²>)^1/2	8.317

All results from a given calculation for C2N2 (Cyanogen)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂N₂ (Cyanogen)